(3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine

C16H20N2 — CID 667440

IUPAC(3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CC[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/t15-/m0/s1
InChIKeyIJHNSHDBIRRJRN-HNNXBMFYSA-N
MW240.35 g/mol
LogP3.17
Rot. Bonds5

About (3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine

(3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 667440) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
PubChem CID667440
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CC[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/t15-/m0/s1
InChIKeyIJHNSHDBIRRJRN-HNNXBMFYSA-N
XLogP3.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of (3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine (CID 667440) is (3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for (3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for (3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine is CN(C)CC[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of (3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is IJHNSHDBIRRJRN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
(3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 667440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).